4-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C17H16N4O5S2/c1-21-10-18-19-17(21)27-13-6-4-12(5-7-13)20-28(24,25)15-9-11(16(22)23)3-8-14(15)26-2/h3-10,20H,1-2H3,(H,22,23)